Receptor
PDB id Resolution Class Description Source Keywords
3WBD 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ANTI-POLYSIALIC ACID ANTIBODY SINGLE CH FRAGMENT (MAB735) COMPLEXED WITH OCTASIALIC ACID MUS MUSCULUS BETA-SANDWICH IMMUNOGLOBULIN FOLD SINGLE CHAIN FV FRAGMENTPOLYSIALIC ACID ALPHA2-8 LINKED POLYSIALIC ACID IMMUNE SY
Ref.: CRYSTAL STRUCTURE OF ANTI-POLYSIALIC ACID ANTIBODY CHAIN FV FRAGMENT COMPLEXED WITH OCTASIALIC ACID: I INTO THE BINDING PREFERENCE FOR POLYSIALIC ACID. J.BIOL.CHEM. V. 288 33784 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SIA SIA SIA SIA SIA SIA SIA B:301;
Valid;
none;
submit data
2049.75 n/a O=C(N...
FLC A:2001;
Invalid;
none;
submit data
189.1 C6 H5 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WBD 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ANTI-POLYSIALIC ACID ANTIBODY SINGLE CH FRAGMENT (MAB735) COMPLEXED WITH OCTASIALIC ACID MUS MUSCULUS BETA-SANDWICH IMMUNOGLOBULIN FOLD SINGLE CHAIN FV FRAGMENTPOLYSIALIC ACID ALPHA2-8 LINKED POLYSIALIC ACID IMMUNE SY
Ref.: CRYSTAL STRUCTURE OF ANTI-POLYSIALIC ACID ANTIBODY CHAIN FV FRAGMENT COMPLEXED WITH OCTASIALIC ACID: I INTO THE BINDING PREFERENCE FOR POLYSIALIC ACID. J.BIOL.CHEM. V. 288 33784 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3WBD - SIA SIA SIA SIA SIA SIA SIA n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 1X9Q Kd = 0.27 pM FLU C20 H12 O5 c1ccc(c(c1....
2 1SVZ - PRO GLN PHE SER LEU TRP LYS ARG n/a n/a
3 1H8S Kd = 1.54 uM AIC C16 H19 N3 O4 S CC1([C@@H]....
4 3WBD - SIA SIA SIA SIA SIA SIA SIA n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 1X9Q Kd = 0.27 pM FLU C20 H12 O5 c1ccc(c(c1....
2 1SVZ - PRO GLN PHE SER LEU TRP LYS ARG n/a n/a
3 1H8S Kd = 1.54 uM AIC C16 H19 N3 O4 S CC1([C@@H]....
4 3WBD - SIA SIA SIA SIA SIA SIA SIA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA SIA SIA SIA SIA SIA SIA; Similar ligands found: 65
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA SIA SIA SIA SIA SIA SIA 1 1
2 SLB SIA SIA 1 1
3 SIA SIA 0.985915 1
4 SLB SIA 0.985915 1
5 SIA SIA SIA 0.729412 1
6 SIA SIA GAL 0.659574 0.981132
7 BGC SIA SIA GAL 0.563636 0.981132
8 SIA SIA GLA BGC 0.563636 0.981132
9 SLB 0.558442 0.826923
10 SIA 0.558442 0.826923
11 MNA 0.5375 0.851852
12 SIA SIA GAL NGA GAL SIA 0.529915 0.981132
13 SIA SIA GAL NGA GAL 0.525424 0.981132
14 GAL SIA 0.510638 0.924528
15 SIA GAL SIA GLC NGA 0.504065 0.981132
16 SIA GAL SIA BGC NGA 0.504065 0.981132
17 SIA 2FG 0.494845 0.859649
18 SIA GAL 0.484536 0.888889
19 SIA NAG 0.479592 0.910714
20 42D 0.458824 0.8
21 18D 0.458824 0.796296
22 SIA GAL SIA BGC NGA CEQ 0.455882 0.8
23 CNP 0.454545 0.767857
24 BGC GAL CEQ SLB NGA GAL SIA SIA 0.452555 0.83871
25 MUS 0.451923 0.79661
26 SIA GAL NGA 0.445455 0.962264
27 NGA GAL SIA 0.440367 0.962264
28 SIA GAL A2G 0.440367 0.962264
29 GLA GLC SIA 0.436364 0.924528
30 SIA GAL BGC 0.436364 0.924528
31 BGC SIA GAL 0.436364 0.924528
32 SIA GAL GLC 0.436364 0.924528
33 GAL BGC SIA 0.436364 0.924528
34 BGC GAL SIA 0.436364 0.924528
35 NAG SIA GAL 0.436364 0.962264
36 NGE 0.435294 0.811321
37 NGC 0.435294 0.811321
38 MN0 0.431818 0.818182
39 NAG GAL SIA 0.428571 0.944444
40 SIA GAL NAG 0.424779 0.910714
41 SIA NAG GAL 0.424779 0.910714
42 SIA 2FG NAG 0.424779 0.894737
43 GAL SIA NGA GAL SIA 0.418803 0.962264
44 GAL SIA NGA GAL 0.418803 0.962264
45 SIA GAL NGA GAL 0.418803 0.962264
46 SIA GAL NAG FUC 0.416667 0.962264
47 FUC NDG GAL SIA 0.416667 0.962264
48 NAG FUC SIA GAL 0.416667 0.962264
49 SIA GAL MAG FUC 0.416667 0.962264
50 SIA GAL NDG FUC 0.416667 0.962264
51 SIA GLA NAG FUC 0.416667 0.962264
52 NDG FUC SIA GAL 0.416667 0.962264
53 GAL TNR SIA 0.415254 0.910714
54 SIA GAL NAG GAL 0.413793 0.944444
55 NGC MBG 0.413462 0.907407
56 SID 0.413043 0.785714
57 SIA GAL NGS 0.411765 0.761194
58 SIA WIA 0.407767 0.862069
59 SIA NAG GAL GAL 0.40678 0.944444
60 GAL NGA GAL SIA 0.40678 0.944444
61 NXD 0.404255 0.793103
62 SIA GAL NDG SIA 0.403361 0.910714
63 SIA GAL NAG SIA 0.403361 0.944444
64 C5P SIA 0.403226 0.666667
65 425 0.401786 0.662338
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WBD; Ligand: SIA SIA SIA SIA SIA SIA SIA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3wbd.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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